REMARK  Name = BDB009624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.069  -1.116  -0.606  0.00  0.00    -0.291 N 
ATOM      2  C   LIG    1       -0.726  -0.095   0.249  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -0.378   1.362  -0.184  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.071   1.560  -0.668  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        1.984   0.322  -0.611  0.00  0.00    +0.052 C 
ATOM      6  C   LIG    1        2.491   0.063   0.820  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.211  -0.905  -1.114  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1        1.759  -1.708  -1.873  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -2.255  -0.233   0.294  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -2.912  -0.345   1.531  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -4.304  -0.447   1.590  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -5.051  -0.437   0.414  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -6.765  -0.564   0.489  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -4.419  -0.325  -0.821  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.027  -0.221  -0.882  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1       -0.770   2.398   0.868  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -1.860   3.253   0.625  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -2.253   4.191   1.581  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -3.593   5.222   1.264  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -1.572   4.295   2.790  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -0.491   3.454   3.045  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -0.094   2.511   2.092  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  24
ATOM     23  C   LIG    1       -0.862  -3.058  -1.997  0.00  0.00    +0.028 C 
ATOM     24  C   LIG    1       -0.589  -2.510  -0.593  0.00  0.00    +0.071 C 
ATOM     25  C   LIG    1        0.312  -3.453   0.213  0.00  0.00    +0.028 C 
ENDBRANCH   1  24
BRANCH   5  26
ATOM     26  C   LIG    1        3.196   0.612  -1.551  0.00  0.00    +0.091 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.399  -0.280  -1.357  0.00  0.00    +0.120 A 
ATOM     28  N   LIG    1        4.343  -1.560  -1.785  0.00  0.00    -0.303 N 
ATOM     29  H   LIG    1        3.492  -2.002  -2.123  0.00  0.00    +0.171 HD
ATOM     30  C   LIG    1        5.445  -2.281  -1.488  0.00  0.00    +0.307 A 
ATOM     31  O   LIG    1        5.628  -3.473  -1.653  0.00  0.00    -0.258 OA
ATOM     32  S   LIG    1        6.577  -1.160  -0.750  0.00  0.00    +0.074 S 
ATOM     33  N   LIG    1        5.486   0.140  -0.790  0.00  0.00    -0.192 NA
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 5